dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane

C13H26O2Si — CID 57163301

IUPACdimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
SMILESC=CCOCCC[Si](C)(C)C1CCCCO1
InChIInChI=1S/C13H26O2Si/c1-4-9-14-10-7-12-16(2,3)13-8-5-6-11-15-13/h4,13H,1,5-12H2,2-3H3
InChIKeyHMRBXNSGMUGSCL-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.40
Rot. Bonds7

About dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane

dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane (PubChem CID 57163301) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane.

Molecular Properties

Compound Namedimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
PubChem CID57163301
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namedimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane
SMILESC=CCOCCC[Si](C)(C)C1CCCCO1
InChIInChI=1S/C13H26O2Si/c1-4-9-14-10-7-12-16(2,3)13-8-5-6-11-15-13/h4,13H,1,5-12H2,2-3H3
InChIKeyHMRBXNSGMUGSCL-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The IUPAC name of dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane (CID 57163301) is dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane.
What is the SMILES notation for dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The canonical SMILES for dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane is C=CCOCCC[Si](C)(C)C1CCCCO1.
What is the InChIKey of dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
The InChIKey is HMRBXNSGMUGSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-4-9-14-10-7-12-16(2,3)13-8-5-6-11-15-13/h4,13H,1,5-12H2,2-3H3.
What are the key properties of dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane?
dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane has a molecular weight of 242.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(oxan-2-yl)-(3-prop-2-enoxypropyl)silane is sourced from PubChem (CID 57163301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).